N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide

C29H32N8O4 — CID 118136099

IUPACN-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESNC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3cc(O)c4nccn4c3)C2)nc1Nc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C29H32N8O4/c30-26(39)25-27(33-21-5-3-18(4-6-21)19-7-12-41-13-8-19)35-24(15-32-25)36-10-1-2-22(17-36)34-29(40)20-14-23(38)28-31-9-11-37(28)16-20/h3-6,9,11,14-16,19,22,38H,1-2,7-8,10,12-13,17H2,(H2,30,39)(H,33,35)(H,34,40)/t22-/m1/s1
InChIKeyHXYLOJPXLAXQBK-JOCHJYFZSA-N
MW556.63 g/mol
LogP2.97
Rot. Bonds7

About N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide

N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118136099) has the molecular formula C29H32N8O4 and a molecular weight of 556.63 g/mol. Its IUPAC name is N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118136099
Molecular FormulaC29H32N8O4
Molecular Weight556.63 g/mol
Exact Mass556.25
IUPAC NameN-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESNC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3cc(O)c4nccn4c3)C2)nc1Nc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C29H32N8O4/c30-26(39)25-27(33-21-5-3-18(4-6-21)19-7-12-41-13-8-19)35-24(15-32-25)36-10-1-2-22(17-36)34-29(40)20-14-23(38)28-31-9-11-37(28)16-20/h3-6,9,11,14-16,19,22,38H,1-2,7-8,10,12-13,17H2,(H2,30,39)(H,33,35)(H,34,40)/t22-/m1/s1
InChIKeyHXYLOJPXLAXQBK-JOCHJYFZSA-N
XLogP2.97
TPSA160.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.63
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide (CID 118136099) is N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide is NC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3cc(O)c4nccn4c3)C2)nc1Nc1ccc(C2CCOCC2)cc1.
What is the InChIKey of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HXYLOJPXLAXQBK-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H32N8O4/c30-26(39)25-27(33-21-5-3-18(4-6-21)19-7-12-41-13-8-19)35-24(15-32-25)36-10-1-2-22(17-36)34-29(40)20-14-23(38)28-31-9-11-37(28)16-20/h3-6,9,11,14-16,19,22,38H,1-2,7-8,10,12-13,17H2,(H2,30,39)(H,33,35)(H,34,40)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide?
N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 556.63 g/mol, XLogP of 2.97, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]-8-hydroxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118136099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).